Hi Patrick,
Assuming you're talking about a model phased map:
1. cif -> mtz (replace PDBID as appropriate):
phenix.cif_as_mtz PDBID.sf --use-model=PDBID.pdb \
--output-file-name=PDBID.mtz
2. calculate Fc by running refmac (or cns, or phenix.refine) with 0
cycles of refinement.
3. map calculation (the labin line may change depending on the program
you've used for step 2 and the map type you're looking to calculate -
FWT, PHWT are refmac coefficients for typical 2mFo - dFc ):
fft hklin YourZeroCycleOutput.mtz mapout density_asu.ccp4 << eof
labin F1=FWT PHI=PHWT
xyzlim asu
end
eof
Hope this helps; feel free to ask more questions if I've made things
more confused (rather than less).
Pete
RiC wrote:
HI,
Does anyone have a step by step guide to go from a structure factor file from
the PDB to a CCP4 map (understandable to a biologist) like the one I can
download on the electron density server?
I am confused and my attempts at using CCP4 keeps coming up with "failed"
Thanks
Patrick
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